Table 4. List of stacked bases along with their trajectory averaged stacking energy and the percentage of frames the interaction was present.
| Stacked bases | Average Coulomb energy (kcal/mol) | Average VDW energy (kcal/mol) | Average stacking energy (kcal/mol) | % of frames |
|---|---|---|---|---|
| G527/C528 | −6.8±1.3 | −5.5±0.5 | −12.2±1.4 | 100% |
| C528/G529 | −2.8±1.1 | −3.9±0.5 | −6.7±1.2 | 99% |
| C528/A533 | 6.8±0.9 | −0.6±0.1 | 6.2±0.9 | 28% |
| G529/A533 | 2.3±0.3 | −0.6±0.1 | 1.8±0.3 | 22% |
| A532/G1206 | 1.9 ±0.8 | −1.1±0.5 | 0.8±0.9 | 85% |
| A532/A1055 | 15.1±2.6 | −1.1±0.4 | 14.1±2.6 | 40% |
| A532/U1056 | 5.5±2.5 | −0.9±0.3 | 4.7±2.5 | 22% |
| A533/C536 | 6.7±1.9 | −5.7±0.6 | 0.9±2.0 | 77% |
A nucleotide can show up several times because it may create alternative stacking interactions with different nucleotides.